Structure of PDB 2gmh Chain B Binding Site BS03

Receptor Information
>2gmh Chain B (length=578) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRITTHYTIYPRDQDKRWEGVNMERFAEEADVVIVGAGPAGLSAATRLKQ
LAAQHEKDLRVCLVEKAAHIGAHTLSGACLDPRAFEELFPDWKEKGAPLN
TPVTEDRFGILTEKYRIPVPILPGLPMNNHGNYVVRLGHLVSWMGEQAEA
LGVEVYPGYAAAEILFHEDGSVKGIATNDVGIQKDGAPKTTFERGLELHA
KVTIFAEGCHGHLAKQLYKKFDLRANCEPQTYGIGLKELWVIDEKKWKPG
RVDHTVGWPLDRHTYGGSFLYHLNEGEPLLALGFVVGLDYQNPYLSPFRE
FQRWKHHPSIKPTLEGGKRIAYGARALNEGGFQSIPKLTFPGGLLIGCSP
GFMNVPKIKGTHTAMKSGTLAAESIFNQLTSENLQSKTIGLHVTEYEDNL
KNSWVWKELYSVRNIRPSCHGILGVYGGMIYTGIFYWIFRGMEPWTLKHK
GSDSDQLKPAKDCTPIEYPKPDGQISFDLLSSVALSGTNHEHDQPAHLTL
KDDSVPVNRNLSIYDGPEQRFCPAGVYEFVPLEQGDGFRLQINAQNCVHC
KTCDIKDPSQNINWVVPEGGGGPAYNGM
Ligand information
Ligand IDUQ5
InChIInChI=1S/C34H50O4/c1-24(2)14-10-15-25(3)16-11-17-26(4)18-12-19-27(5)20-13-21-28(6)22-23-30-29(7)31(35)33(37-8)34(38-9)32(30)36/h14,16,18,20,22H,10-13,15,17,19,21,23H2,1-9H3/b25-16+,26-18+,27-20+,28-22+
InChIKeyNYFAQDMDAFCWPU-UVCHAVPFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
ACDLabs 10.04O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)C
FormulaC34 H50 O4
Name2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE
ChEMBL
DrugBank
ZINCZINC000058649852
PDB chain2gmh Chain B Residue 615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2gmh Structure of electron transfer flavoprotein-ubiquinone oxidoreductase and electron transfer to the mitochondrial ubiquinone pool.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F114 M133 H260 T261 V262 Y271 G272 G273 C425 G434 M435 T438 G439
Binding residue
(residue number reindexed from 1)		F108 M127 H254 T255 V256 Y265 G266 G267 C419 G428 M429 T432 G433
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S82 R331 T367 C528 C553 C556 C559
Catalytic site (residue number reindexed from 1) S76 R325 T361 C522 C547 C550 C553
Enzyme Commision number 1.5.5.1: electron-transferring-flavoprotein dehydrogenase.
Gene Ontology
Molecular Function
GO:0004174 electron-transferring-flavoprotein dehydrogenase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048039 ubiquinone binding
GO:0050660 flavin adenine dinucleotide binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006979 response to oxidative stress
GO:0022900 electron transport chain
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2gmh, PDBe:2gmh, PDBj:2gmh
PDBsum2gmh
PubMed17050691
UniProtP55931|ETFD_PIG Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial (Gene Name=ETFDH)

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